Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.42 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL30401530 | 0.87 | MAPT (0.42) | MAPK1MAPTALDH1A1SMN1; SMN2LMNA | |
| SCHEMBL31348837 | 0.86 | ALDH1A1 (0.47) | MAPTALDH1A1SMN1; SMN2LMNACYP1A2 | |
| SCHEMBL6696133 | 0.83 | ALDH1A1 (0.51) | MAPTALDH1A1TP53SMN1; SMN2LMNA | |
| SCHEMBL75802 | 0.78 | CYP2D6 (0.45) | MAPTALDH1A1LMNACYP2D6HPGD | |
| SCHEMBL7575151 | 0.76 | CASP3 (0.40) | MAPTALDH1A1SMN1; SMN2LMNACYP1A2 | |
| SCHEMBL31103292 | 0.76 | MAPK1 (0.45) | MAPK1MAPTALDH1A1MAOBMEN1 | |
| SCHEMBL10102348 | 0.75 | CASP3 (0.47) | MAPK1MAPTALDH1A1MEN1HSP90AA1 | |
| SCHEMBL6318644 | 0.75 | TSHR (0.48) | MAPTALDH1A1CYP2C19MEN1HSP90AA1 | |
| SCHEMBL8950594 | 0.75 | ALDH1A1 (0.39) | MAPTALDH1A1SMN1; SMN2LMNAHPGD | |
| SCHEMBL15235706 | 0.74 | POLB (0.54) | MAPTALDH1A1PKMMAOBPTPN2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2558445-B1 | INTERMEDIATES USEFUL FOR THE SYNTHESIS OF PYRROLOBENZODIAZEPINES | MEDIMMUNE LTD (GB) | 2017-03-22 | — | — | EP | disclosed |